2-(3-methylpiperidin-1-yl)ethanamine

C8H18N2 — CID 3149268

IUPAC2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CCN)C1
InChIInChI=1S/C8H18N2/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-7,9H2,1H3
InChIKeyXGUMSCJZZRIGOO-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.68
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)ethanamine

2-(3-methylpiperidin-1-yl)ethanamine (PubChem CID 3149268) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)ethanamine
PubChem CID3149268
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name2-(3-methylpiperidin-1-yl)ethanamine
SMILESCC1CCCN(CCN)C1
InChIInChI=1S/C8H18N2/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-7,9H2,1H3
InChIKeyXGUMSCJZZRIGOO-UHFFFAOYSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)ethanamine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)ethanamine (CID 3149268) is 2-(3-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)ethanamine is CC1CCCN(CCN)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)ethanamine?
The InChIKey is XGUMSCJZZRIGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8-3-2-5-10(7-8)6-4-9/h8H,2-7,9H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)ethanamine?
2-(3-methylpiperidin-1-yl)ethanamine has a molecular weight of 142.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 3149268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).